2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

C16H30N4O3 — CID 110047456

IUPAC2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCO)CCOC1
InChIInChI=1S/C16H30N4O3/c1-13(2)9-17-15(18-10-14(22)20(3)4)19-11-16(5-7-21)6-8-23-12-16/h21H,1,5-12H2,2-4H3,(H2,17,18,19)
InChIKeyUIXMEJWVZCVIFL-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.03
Rot. Bonds8

About 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047456) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047456
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCO)CCOC1
InChIInChI=1S/C16H30N4O3/c1-13(2)9-17-15(18-10-14(22)20(3)4)19-11-16(5-7-21)6-8-23-12-16/h21H,1,5-12H2,2-4H3,(H2,17,18,19)
InChIKeyUIXMEJWVZCVIFL-UHFFFAOYSA-N
XLogP-0.03
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(1-ethylcyclobutyl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043568
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110045135
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
2-[[N'-[(4-bromophenyl)methyl]-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047475
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111004092
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylamino)methylidene]amino]acetamide
CID 110036095
2-[[(1,4-dioxaspiro[4.6]undecan-3-ylmethylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035674
N,N-dimethyl-2-[[[(3-methyl-2-morpholin-4-ylbutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111364129
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylamino)methylidene]amino]acetamide;hydroiodide
CID 110047911
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874

Frequently Asked Questions

What is the IUPAC name of 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047456) is 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCO)CCOC1.
What is the InChIKey of 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UIXMEJWVZCVIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-13(2)9-17-15(18-10-14(22)20(3)4)19-11-16(5-7-21)6-8-23-12-16/h21H,1,5-12H2,2-4H3,(H2,17,18,19).
What are the key properties of 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 326.44 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).